butyl 2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: butyl 2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: butyl 2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-phenyl-2-pyridinyl)thio]acetic acid butyl ester IUPAC Name: butyl 2-(3-cyano-6-phenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-phenyl-2-pyridyl)thio]acetic acid butyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C=CC(=N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CCCCOC(=O)CSC1=C(C=CC(=N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C18H18N2O2S/c1-2-3-11-22-17(21)13-23-18-15(12-19)9-10-16(20-18)14-7-5-4-6-8-14/h4-10H,2-3,11,13H2,1H3